element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:35:53     -280.480857       27.0824
BFGS:    1 17:35:53     -291.543159       22.4743
BFGS:    2 17:35:53     -294.976033       22.5779
BFGS:    3 17:35:53     -298.420403       22.7246
BFGS:    4 17:35:53     -301.770035       22.4709
BFGS:    5 17:35:53     -305.158164       22.3827
BFGS:    6 17:35:53     -308.555472       22.3051
BFGS:    7 17:35:53     -311.950233       22.2158
BFGS:    8 17:35:53     -315.335518       22.1238
BFGS:    9 17:35:53     -318.710934       22.0414
BFGS:   10 17:35:53     -322.062438       21.8675
BFGS:   11 17:35:53     -325.386554       21.6610
BFGS:   12 17:35:53     -328.676731       21.4177
BFGS:   13 17:35:53     -331.926552       21.1343
BFGS:   14 17:35:53     -335.129425       20.8077
BFGS:   15 17:35:54     -338.278427       20.4346
BFGS:   16 17:35:54     -341.366218       20.0121
BFGS:   17 17:35:54     -344.384986       19.5366
BFGS:   18 17:35:54     -347.326407       19.0046
BFGS:   19 17:35:54     -350.181609       18.4124
BFGS:   20 17:35:54     -352.941135       17.7560
BFGS:   21 17:35:54     -355.594907       17.0311
BFGS:   22 17:35:54     -358.132185       16.2332
BFGS:   23 17:35:54     -360.541528       15.3576
BFGS:   24 17:35:54     -362.811081       14.4597
BFGS:   25 17:35:54     -364.938014       13.4171
BFGS:   26 17:35:54     -366.903095       12.3204
BFGS:   27 17:35:54     -368.686058       11.0801
BFGS:   28 17:35:54     -370.272642        9.7350
BFGS:   29 17:35:54     -371.652348        8.3601
BFGS:   30 17:35:54     -372.805659        6.7806
BFGS:   31 17:35:54     -373.709726        5.0751
BFGS:   32 17:35:54     -374.344087        3.2343
BFGS:   33 17:35:54     -374.691119        1.3115
BFGS:   34 17:35:54     -374.753011        0.1288
BFGS:   35 17:35:54     -374.753594        0.0030
BFGS:   36 17:35:54     -374.753594        0.0001
BFGS:   37 17:35:54     -374.753594        0.0000
BFGS:   38 17:35:55     -374.753594        0.0000
BFGS:   39 17:35:55     -374.753594        0.0000
Minimization converged after 39 steps.
Maximum force component: 2.3960981737630003e-10 eV/Angstrom
Maximum stress component: 2.1227589229817087e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.14232503 0.14232503 0.14232503]
 [0.35767497 0.85767497 0.64232503]
 [0.85767497 0.64232503 0.35767497]
 [0.64232503 0.35767497 0.85767497]
 [0.64232503 0.64232503 0.64232503]
 [0.85767497 0.35767497 0.14232503]
 [0.35767497 0.14232503 0.85767497]
 [0.14232503 0.85767497 0.35767497]
 [0.85767497 0.85767497 0.85767497]
 [0.64232503 0.14232503 0.35767497]
 [0.14232503 0.35767497 0.64232503]
 [0.35767497 0.64232503 0.14232503]
 [0.35767497 0.35767497 0.35767497]
 [0.14232503 0.64232503 0.85767497]
 [0.64232503 0.85767497 0.14232503]
 [0.85767497 0.14232503 0.64232503]]
cellpar =  Cell([[4.012231739491758, -1.7032860271448075e-36, 0.0], [1.8935468681342013e-36, 4.012231739491758, 0.0], [0.0, 0.0, 4.012231739491758]])
forces =  [[ 2.39609817e-10  2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10 -2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10  2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10 -2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10  2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10 -2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10  2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10 -2.39609817e-10 -2.39609817e-10]
 [-2.39609817e-10 -2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10  2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10 -2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10  2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10 -2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10  2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10 -2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10  2.39609817e-10  2.39609817e-10]]
stress =  [-2.12275892e-10 -2.12275892e-10 -2.12275892e-10  0.00000000e+00
  0.00000000e+00  2.04181868e-32]
energy per atom =  -23.422099653940126
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0